SCHEMBL91269

SCHEMBL91269

CCc1ccc(OCCOc2c(C)cccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 8/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5929490 0.82 MAPT (0.62) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15869661 0.81 KCNA3 (0.54) SCN8AALDH1A1
SCHEMBL5281663 0.81 L3MBTL1 (0.61) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL91273 0.81 L3MBTL1 (0.50) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1373729 0.79 KDM4E (0.59) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5294667 0.79 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL78591 0.77 ALDH1A1 (0.51) SCN8AALDH1A1LMNAMAPTHPGD
SCHEMBL3763334 0.77 L3MBTL1 (0.64) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10289285 0.77 MAPT (0.41) SCN8AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL14579984 0.77 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed